SCHEMBL18862099

SCHEMBL18862099

C[C@H](C[C@H](C)C(=O)O)C1CCC2C3C(CC[C@@]21C)[C@@]1(C)CCCCC1C[C@H]3O

nearest known ligand 0.79

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 14/20 0.79
▸ NR1H4 Q96RI1 9/20 0.79
▸ MEN1 O00255 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ LMNA P02545 1/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ ABCB11 O95342 1/20 0.58
▸ CHRM2 P08172 1/20 0.58
▸ ADRA2A P08913 1/20 0.58
▸ ADRA1A P35348 1/20 0.58
▸ SLC10A2 Q12908 1/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20664707 0.93 GPBAR1 (0.76) GPBAR1NR1H4MEN1KMT2ALMNA
SCHEMBL25926254 0.89 GPBAR1 (0.76) GPBAR1NR1H4MEN1KMT2ALMNA
SCHEMBL19781082 0.89 GPBAR1 (0.67) GPBAR1NR1H4MEN1KMT2ALMNA
SCHEMBL25926256 0.89 GPBAR1 (0.76) GPBAR1NR1H4MEN1KMT2ALMNA
SCHEMBL24712916 0.88 GPBAR1 (1.00) GPBAR1NR1H4MEN1KMT2ALMNA
SCHEMBL9760793 0.88 GPBAR1 (1.00) GPBAR1NR1H4MEN1KMT2ALMNA
SCHEMBL19116123 0.88 GPBAR1 (1.00) GPBAR1NR1H4MEN1KMT2ALMNA
SCHEMBL9760600 0.88 GPBAR1 (1.00) GPBAR1NR1H4MEN1KMT2ALMNA
SCHEMBL9759995 0.88 GPBAR1 (1.00) GPBAR1NR1H4MEN1KMT2ALMNA
SCHEMBL593794 0.88 GPBAR1 (1.00) GPBAR1NR1H4MEN1KMT2ALMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180016295-A1 TGR5 Modulators and Methods of Use Thereof INTERCEPT PHARMACEUTICALS INC (US) 2018-01-18 — — US disclosed
US-9650409-B2 TGR5 modulators and methods of use thereof INTERCEPT PHARMACEUTICALS, INC. (US) 2017-05-16 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180016295-A1 TGR5 Modulators and Methods of Use Thereof GPBAR1, SLC10A1, SLC5A1 GPBAR1 1/4885NR1H4 23/4885MEN1 3252/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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